6-ethyl-1,4-dihydro-1,2,4,5-tetrazin-3-amine

C4H9N5 — CID 53215388

IUPAC6-ethyl-1,4-dihydro-1,2,4,5-tetrazin-3-amine
SMILESCCC1=NNC(N)=NN1
InChIInChI=1S/C4H9N5/c1-2-3-6-8-4(5)9-7-3/h2H2,1H3,(H,6,7)(H3,5,8,9)
InChIKeyBNWCCXCEVHDUCG-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.87
Rot. Bonds1

About 6-ethyl-1,4-dihydro-1,2,4,5-tetrazin-3-amine

6-ethyl-1,4-dihydro-1,2,4,5-tetrazin-3-amine (PubChem CID 53215388) has the molecular formula C4H9N5 and a molecular weight of 127.15 g/mol. Its IUPAC name is 6-ethyl-1,4-dihydro-1,2,4,5-tetrazin-3-amine.

Molecular Properties

Compound Name6-ethyl-1,4-dihydro-1,2,4,5-tetrazin-3-amine
PubChem CID53215388
Molecular FormulaC4H9N5
Molecular Weight127.15 g/mol
Exact Mass127.09
IUPAC Name6-ethyl-1,4-dihydro-1,2,4,5-tetrazin-3-amine
SMILESCCC1=NNC(N)=NN1
InChIInChI=1S/C4H9N5/c1-2-3-6-8-4(5)9-7-3/h2H2,1H3,(H,6,7)(H3,5,8,9)
InChIKeyBNWCCXCEVHDUCG-UHFFFAOYSA-N
XLogP-0.87
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,4-dihydro-1,2,4,5-tetrazin-3-amine?
The IUPAC name of 6-ethyl-1,4-dihydro-1,2,4,5-tetrazin-3-amine (CID 53215388) is 6-ethyl-1,4-dihydro-1,2,4,5-tetrazin-3-amine.
What is the SMILES notation for 6-ethyl-1,4-dihydro-1,2,4,5-tetrazin-3-amine?
The canonical SMILES for 6-ethyl-1,4-dihydro-1,2,4,5-tetrazin-3-amine is CCC1=NNC(N)=NN1.
What is the InChIKey of 6-ethyl-1,4-dihydro-1,2,4,5-tetrazin-3-amine?
The InChIKey is BNWCCXCEVHDUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5/c1-2-3-6-8-4(5)9-7-3/h2H2,1H3,(H,6,7)(H3,5,8,9).
What are the key properties of 6-ethyl-1,4-dihydro-1,2,4,5-tetrazin-3-amine?
6-ethyl-1,4-dihydro-1,2,4,5-tetrazin-3-amine has a molecular weight of 127.15 g/mol, XLogP of -0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,4-dihydro-1,2,4,5-tetrazin-3-amine is sourced from PubChem (CID 53215388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).